N-(4-butylphenyl)-4-chloranyl-3,5-dinitro-benzamide

Systemtic Name: N-(4-butylphenyl)-4-chloranyl-3,5-dinitro-benzamide Openeye Name: N-(4-butylphenyl)-4-chloro-3,5-dinitro-benzamide CAS Name: N-(4-butylphenyl)-4-chloro-3,5-dinitrobenzamide IUPAC Name: N-(4-butylphenyl)-4-chloro-3,5-dinitrobenzamide Traditional Name: N-(4-butylphenyl)-4-chloro-3,5-dinitro-benzamide Formula: C17H16ClN3O5 MolecularWeight: 377.77904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClN3O5/c1-2-3-4-11-5-7-13(8-6-11)19-17(22)12-9-14(20(23)24)16(18)15(10-12)21(25)26/h5-10H,2-4H2,1H3,(H,19,22)